4-[(1S,3R)-1,3-bis(benzotriazol-1-yl)-3-phenyl-propyl]morpholin-4-ium

Systemtic Name: 4-[(1S,3R)-1,3-bis(benzotriazol-1-yl)-3-phenyl-propyl]morpholin-4-ium Openeye Name: 4-[(1S,3R)-1,3-bis(benzotriazol-1-yl)-3-phenyl-propyl]morpholin-4-ium CAS Name: 4-[(1S,3R)-1,3-bis(1-benzotriazolyl)-3-phenylpropyl]morpholin-4-ium IUPAC Name: 4-[(1S,3R)-1,3-bis(benzotriazol-1-yl)-3-phenylpropyl]morpholin-4-ium Traditional Name: 4-[(1S,3R)-1,3-bis(benzotriazol-1-yl)-3-phenyl-propyl]morpholin-4-ium Formula: C25H26N7O+ MolecularWeight: 440.52024

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CC(C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1COCC[NH+]1[C@H](C[C@H](C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C25H25N7O/c1-2-8-19(9-3-1)24(31-22-12-6-4-10-20(22)26-28-31)18-25(30-14-16-33-17-15-30)32-23-13-7-5-11-21(23)27-29-32/h1-13,24-25H,14-18H2/p+1/t24-,25+/m1/s1